HIGHLIGHTS
- who: . and collaborators from the Laboratory (DOE), United States Lomonosov Moscow State University have published the research work: A computational pipeline to generate a synthetic dataset of metal ion sorption to oxides for AI/ML exploration, in the Journal: (JOURNAL)
- what: Presented in this study show that surrogate models allow a rapid prediction of the SCM model parameters, do not rely on an initial guess, and guarantee convergence in all cases. The authors focused on the surface charge/electrokinetic potential as a function of pH, because they are the most commonly reported experimental observations .
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